1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine

C16H18BrN3 — CID 116902605

IUPAC1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2nccc(-c3cc(Br)ccc3C)n2)CC1
InChIInChI=1S/C16H18BrN3/c1-11-3-4-12(17)9-13(11)14-5-8-19-15(20-14)16(6-7-16)10-18-2/h3-5,8-9,18H,6-7,10H2,1-2H3
InChIKeySJKCWDZIHMBOEX-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.47
Rot. Bonds4

About 1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine

1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine (PubChem CID 116902605) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
PubChem CID116902605
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2nccc(-c3cc(Br)ccc3C)n2)CC1
InChIInChI=1S/C16H18BrN3/c1-11-3-4-12(17)9-13(11)14-5-8-19-15(20-14)16(6-7-16)10-18-2/h3-5,8-9,18H,6-7,10H2,1-2H3
InChIKeySJKCWDZIHMBOEX-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
CID 116902604
N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902616
[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896060
N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898658
N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine
CID 116998358
1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901604
4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid
CID 116899778
3-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116898221
[1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902682
1-[1-(4-bromo-2-chlorophenyl)cyclopropyl]-N-methylmethanamine
CID 83744622
1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine
CID 116989952
N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902732

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine (CID 116902605) is 1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine is CNCC1(c2nccc(-c3cc(Br)ccc3C)n2)CC1.
What is the InChIKey of 1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine?
The InChIKey is SJKCWDZIHMBOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-11-3-4-12(17)9-13(11)14-5-8-19-15(20-14)16(6-7-16)10-18-2/h3-5,8-9,18H,6-7,10H2,1-2H3.
What are the key properties of 1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine?
1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine has a molecular weight of 332.25 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116902605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).